Final Magnetic Moment6.952 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFM |
Formation Energy / Atom-0.910 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.000 eVThe energy of decomposition of this material into the set of most stable materials at this chemical composition, in eV/atom. Stability is tested against all potential chemical combinations that result in the material's composition. For example, a Co2O3 structure would be tested for decomposition against other Co2O3 structures, against Co and O2 mixtures, and against CoO and O2 mixtures. |
Density9.74 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToStable |
Band Gap0.000 eVIn general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. Typically the disagreement is reported to be ~50% in the literature. Some internal testing by the Materials Project supports these statements; typically, we find that band gaps are underestimated by ~40%. We additionally find that several known insulators are predicted to be metallic. |
Hermann MauguinP213 [198] |
HallP 2ac 2ab 3 |
Point Group23 |
Crystal Systemcubic |
Topological ClassificationSM*
|
SubclassificationESFD†
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Crossing TypePoint
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Calculated powder diffraction pattern; note that peak spacings may be affected due to inaccuracies in calculated cell volume, which is typically overestimated on average by 3% (+/- 6%)
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
Bi2Te3 (mp-34202) | <0 0 1> | <1 1 1> | 225.6 |
GaSe (mp-1943) | <0 0 1> | <1 0 0> | 303.9 |
BN (mp-984) | <0 0 1> | <1 1 0> | 245.6 |
BN (mp-984) | <1 0 1> | <1 1 1> | 225.6 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 0> | 217.1 |
Bi2Se3 (mp-541837) | <0 0 1> | <1 0 0> | 347.3 |
Al (mp-134) | <1 0 0> | <1 0 0> | 217.1 |
Al (mp-134) | <1 1 0> | <1 1 0> | 184.2 |
LiGaO2 (mp-5854) | <0 0 1> | <1 1 0> | 245.6 |
LiGaO2 (mp-5854) | <0 1 0> | <1 0 0> | 303.9 |
LiGaO2 (mp-5854) | <1 0 0> | <1 1 0> | 184.2 |
LiGaO2 (mp-5854) | <1 1 0> | <1 1 0> | 245.6 |
CdTe (mp-406) | <1 0 0> | <1 0 0> | 43.4 |
CdTe (mp-406) | <1 1 0> | <1 1 0> | 61.4 |
CdTe (mp-406) | <1 1 1> | <1 1 1> | 75.2 |
SiC (mp-7631) | <0 0 1> | <1 1 1> | 75.2 |
SiC (mp-7631) | <1 1 0> | <1 1 0> | 245.6 |
LiTaO3 (mp-3666) | <0 0 1> | <1 1 1> | 300.8 |
MgO (mp-1265) | <1 1 1> | <1 1 1> | 225.6 |
TiO2 (mp-2657) | <0 0 1> | <1 0 0> | 43.4 |
TiO2 (mp-2657) | <1 0 0> | <1 0 0> | 217.1 |
TiO2 (mp-2657) | <1 0 1> | <1 0 0> | 303.9 |
TiO2 (mp-2657) | <1 1 0> | <1 0 0> | 173.7 |
Ge3(BiO3)4 (mp-23560) | <1 0 0> | <1 0 0> | 217.1 |
C (mp-66) | <1 0 0> | <1 0 0> | 217.1 |
C (mp-66) | <1 1 0> | <1 0 0> | 217.1 |
GdScO3 (mp-5690) | <1 0 0> | <1 1 0> | 184.2 |
Mg (mp-153) | <1 0 0> | <1 1 1> | 150.4 |
KP(HO2)2 (mp-23959) | <1 0 0> | <1 0 0> | 217.1 |
LaAlO3 (mp-2920) | <0 0 1> | <1 1 1> | 75.2 |
LaAlO3 (mp-2920) | <1 0 1> | <1 1 0> | 307.0 |
LaAlO3 (mp-2920) | <1 1 0> | <1 1 0> | 122.8 |
LaF3 (mp-905) | <1 0 0> | <1 0 0> | 217.1 |
PbS (mp-21276) | <1 0 0> | <1 0 0> | 173.7 |
GaP (mp-2490) | <1 1 0> | <1 1 0> | 122.8 |
GaP (mp-2490) | <1 1 1> | <1 0 0> | 260.5 |
AlN (mp-661) | <0 0 1> | <1 1 0> | 307.0 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 245.6 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 122.8 |
CeO2 (mp-20194) | <1 1 1> | <1 0 0> | 260.5 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 173.7 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 184.2 |
GaAs (mp-2534) | <1 1 1> | <1 1 1> | 225.6 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 347.3 |
InP (mp-20351) | <1 0 0> | <1 0 0> | 173.7 |
TbScO3 (mp-31119) | <1 0 0> | <1 1 0> | 184.2 |
Ni (mp-23) | <1 0 0> | <1 0 0> | 217.1 |
InSb (mp-20012) | <1 0 0> | <1 0 0> | 43.4 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 217.1 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 303.9 |
A full elastic tensor has not been calculated for this material. Registered users can view statistical-learning-based predictions of this material's bulk and shear moduli.
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
SrSiPd (mp-8843) | 0.3948 | 0.000 | 3 |
SrSiPt (mp-971914) | 0.3771 | 0.000 | 3 |
CaSiPt (mp-4478) | 0.1527 | 0.000 | 3 |
SrGePt (mp-21164) | 0.2977 | 0.000 | 3 |
EuPIr (mp-1095517) | 0.3949 | 0.000 | 3 |
BaSi2 (mp-7275) | 0.1799 | 0.013 | 2 |
SrSi2 (mp-14172) | 0.1035 | 0.003 | 2 |
SrSi2 (mp-496) | 0.1029 | 0.003 | 2 |
NbSe4 (mp-1078815) | 0.7348 | 0.030 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu Ge_d Pt |
Final Energy/Atom-7.9038 eV |
Corrected Energy-94.8461 eV
Uncorrected energy = -94.8461 eV
Corrected energy = -94.8461 eV
|
Displaying lattice parameters for primitive cell; note that calculated cell volumes are typically overestimated on average by 3% (+/- 6%). Note the primitive cell may appear less symmetric than the conventional cell representation (see "Structure Type" selector below the 3d structure)